N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide

C19H23NO4 — CID 10471777

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO4/c1-22-17-9-8-15(14-18(17)23-2)10-12-20-19(21)11-13-24-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,21)
InChIKeyGKXLQPBFBOJEON-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide (PubChem CID 10471777) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
PubChem CID10471777
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO4/c1-22-17-9-8-15(14-18(17)23-2)10-12-20-19(21)11-13-24-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,21)
InChIKeyGKXLQPBFBOJEON-UHFFFAOYSA-N
XLogP2.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-phenoxypropyl)guanidine
CID 111036916
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide (CID 10471777) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide is COc1ccc(CCNC(=O)CCOc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is GKXLQPBFBOJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-17-9-8-15(14-18(17)23-2)10-12-20-19(21)11-13-24-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 10471777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).